1-(2,5-dibromo-4-fluorophenyl)ethanone

C8H5Br2FO — CID 119017691

IUPAC1-(2,5-dibromo-4-fluorophenyl)ethanone
SMILESCC(=O)c1cc(Br)c(F)cc1Br
InChIInChI=1S/C8H5Br2FO/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
InChIKeyMEEOSPCTAOBHNM-UHFFFAOYSA-N
MW295.93 g/mol
LogP3.55
Rot. Bonds1

About 1-(2,5-dibromo-4-fluorophenyl)ethanone

1-(2,5-dibromo-4-fluorophenyl)ethanone (PubChem CID 119017691) has the molecular formula C8H5Br2FO and a molecular weight of 295.93 g/mol. Its IUPAC name is 1-(2,5-dibromo-4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2,5-dibromo-4-fluorophenyl)ethanone
PubChem CID119017691
Molecular FormulaC8H5Br2FO
Molecular Weight295.93 g/mol
Exact Mass293.87
IUPAC Name1-(2,5-dibromo-4-fluorophenyl)ethanone
SMILESCC(=O)c1cc(Br)c(F)cc1Br
InChIInChI=1S/C8H5Br2FO/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3
InChIKeyMEEOSPCTAOBHNM-UHFFFAOYSA-N
XLogP3.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.93
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-4-fluoro-2-hydroxyphenyl)ethanone;ethane
CID 155744413
1-(4-bromo-5-fluoro-2-hydroxyphenyl)ethanone
CID 53402856
1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone
CID 131613610
1-[4-bromo-5-fluoro-2-(trifluoromethyl)phenyl]ethanone
CID 131353929
1-[2,5-dibromo-4-(trifluoromethyl)phenyl]ethanone
CID 171005665
ethyl 2,5-dibromo-4-fluorobenzoate
CID 79016537
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080
1-(2-bromo-5-fluoro-4-nitrophenyl)ethanone
CID 122237244
1-(4-bromo-5-fluoro-2-trimethylsilyloxyphenyl)ethanone
CID 167732859
1-[5-bromo-2-fluoro-4-(trifluoromethyl)phenyl]ethanone
CID 131353927
1-(5-bromo-2,3-difluoro-4-hydroxyphenyl)ethanone
CID 117380244
1-(5-bromo-3,4-difluoro-2-hydroxyphenyl)ethanone
CID 83900439

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromo-4-fluorophenyl)ethanone?
The IUPAC name of 1-(2,5-dibromo-4-fluorophenyl)ethanone (CID 119017691) is 1-(2,5-dibromo-4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2,5-dibromo-4-fluorophenyl)ethanone?
The canonical SMILES for 1-(2,5-dibromo-4-fluorophenyl)ethanone is CC(=O)c1cc(Br)c(F)cc1Br.
What is the InChIKey of 1-(2,5-dibromo-4-fluorophenyl)ethanone?
The InChIKey is MEEOSPCTAOBHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2FO/c1-4(12)5-2-7(10)8(11)3-6(5)9/h2-3H,1H3.
What are the key properties of 1-(2,5-dibromo-4-fluorophenyl)ethanone?
1-(2,5-dibromo-4-fluorophenyl)ethanone has a molecular weight of 295.93 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromo-4-fluorophenyl)ethanone is sourced from PubChem (CID 119017691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).